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{
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{
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"created_at": "2022-09-04T14:48:30.762904Z",
"structure_string": "Hg6 S4 Cl4\n1.0\n-4.610675 4.610675 4.610675\n4.610675 -4.610675 4.610675\n4.610675 4.610675 -4.610675\nHg S Cl\n6 4 4\ndirect\n0.947326 0.250000 0.197326 Hg\n0.750000 0.302674 0.552674 Hg\n0.197326 0.947326 0.250000 Hg\n0.250000 0.197326 0.947326 Hg\n0.302674 0.552674 0.750000 Hg\n0.552674 0.750000 0.302674 Hg\n0.000000 0.524148 0.500000 S\n0.975852 0.975852 0.975852 S\n0.524148 0.500000 0.000000 S\n0.500000 0.000000 0.524148 S\n0.000000 0.010948 0.500000 Cl\n0.489052 0.489052 0.489052 Cl\n0.500000 0.000000 0.010948 Cl\n0.010948 0.500000 0.000000 Cl\n",
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"volume": 392.0608912164051,
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"formula_full": "Hg6 S4 Cl4",
"formula_reduced": "Hg3(SCl)2",
"formula_anonymous": "A2B2C3",
"energy": -35.65386426,
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{
"id": "mp-1041927",
"created_at": "2022-09-04T14:48:30.765107Z",
"structure_string": "Ca2 Co4 O8\n1.0\n-3.073271 3.113610 4.375052\n3.073271 -3.113610 4.375052\n3.073271 3.113610 -4.375052\nCa Co O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.135876 0.885876 0.250000 Co\n0.864124 0.114124 0.750000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.726278 0.210358 0.984080 O\n0.728049 0.239278 0.488771 O\n0.726278 0.742199 0.515920 O\n0.250507 0.239278 0.011229 O\n0.749493 0.760722 0.988771 O\n0.271951 0.760722 0.511229 O\n0.273722 0.257801 0.484080 O\n0.273722 0.789642 0.015920 O\n",
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"formula_full": "Ca2 Co4 O8",
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{
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"structure_string": "Li4 Si2 O6\n1.0\n2.720000 -4.733696 0.000000\n2.720000 4.733696 0.000000\n0.000000 0.000000 4.719622\nLi Si O\n4 2 6\ndirect\n0.482001 0.829535 0.994299 Li\n0.517999 0.170465 0.494299 Li\n0.170465 0.517999 0.494299 Li\n0.829534 0.482001 0.994299 Li\n0.828277 0.828277 0.499537 Si\n0.171723 0.171723 0.999537 Si\n0.885214 0.885214 0.145415 O\n0.835779 0.545426 0.580826 O\n0.545426 0.835779 0.580826 O\n0.114786 0.114786 0.645415 O\n0.454574 0.164221 0.080826 O\n0.164221 0.454574 0.080826 O\n",
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"formula_full": "Li4 Si2 O6",
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"spacegroup": 36
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{
"id": "mp-561465",
"created_at": "2022-09-04T14:48:30.772970Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n2.701521 -4.679171 0.000000\n2.701521 4.679171 0.000000\n0.000000 0.000000 16.243782\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.945347 Tl\n0.666667 0.333333 0.554653 Tl\n0.333333 0.666667 0.445347 Tl\n0.333333 0.666667 0.054653 Tl\n0.333333 0.666667 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.336113 0.064148 0.822314 O\n0.935852 0.271965 0.822314 O\n0.935852 0.663887 0.677686 O\n0.663887 0.728035 0.177686 O\n0.064148 0.336113 0.177686 O\n0.064148 0.728035 0.322314 O\n0.336113 0.271965 0.677686 O\n0.728035 0.064148 0.677686 O\n0.728035 0.663887 0.822314 O\n0.271965 0.935852 0.177686 O\n0.271965 0.336113 0.322314 O\n0.663887 0.935852 0.322314 O\n",
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{
"id": "mp-1226790",
"created_at": "2022-09-04T14:48:30.773267Z",
"structure_string": "Ce2 Pr1 O6\n1.0\n-1.959882 2.778037 5.883919\n1.959882 -2.778037 5.883919\n1.959882 2.778037 -5.883919\nCe Pr O\n2 1 6\ndirect\n0.667728 0.667728 0.000000 Ce\n0.332272 0.332272 0.000000 Ce\n0.000000 0.000000 0.000000 Pr\n0.571363 0.828604 0.742759 O\n0.264882 0.500000 0.764882 O\n0.914155 0.171396 0.742759 O\n0.085845 0.828604 0.257241 O\n0.735118 0.500000 0.235118 O\n0.428637 0.171396 0.257241 O\n",
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{
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{
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},
{
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"created_at": "2022-09-04T14:48:30.788029Z",
"structure_string": "Sr6 W4 O18\n1.0\n5.422220 -4.958831 0.000000\n5.422220 4.958831 0.000000\n0.887177 0.000000 7.294065\nSr W O\n6 4 18\ndirect\n0.923372 0.250000 0.576628 Sr\n0.423372 0.076628 0.750000 Sr\n0.750000 0.423372 0.076628 Sr\n0.250000 0.576628 0.923372 Sr\n0.576628 0.923372 0.250000 Sr\n0.076628 0.750000 0.423372 Sr\n0.856540 0.856540 0.856540 W\n0.356540 0.356540 0.356540 W\n0.143460 0.143460 0.143460 W\n0.643460 0.643460 0.643460 W\n0.919584 0.084159 0.257206 O\n0.742794 0.080416 0.915841 O\n0.901271 0.598729 0.750000 O\n0.580416 0.242794 0.415841 O\n0.250000 0.098729 0.401271 O\n0.401271 0.250000 0.098729 O\n0.584159 0.419584 0.757206 O\n0.757206 0.584159 0.419584 O\n0.915841 0.742794 0.080416 O\n0.084159 0.257206 0.919584 O\n0.242794 0.415841 0.580416 O\n0.750000 0.901271 0.598729 O\n0.415841 0.580416 0.242794 O\n0.598729 0.750000 0.901271 O\n0.419584 0.757206 0.584159 O\n0.098729 0.401271 0.250000 O\n0.257206 0.919584 0.084159 O\n0.080416 0.915841 0.742794 O\n",
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{
"id": "mp-1074466",
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"structure_string": "Mg8 Si6\n1.0\n7.327933 -0.016140 -3.339353\n3.331730 6.178422 0.951225\n-0.036431 0.021081 6.312610\nMg Si\n8 6\ndirect\n0.458832 0.382488 0.675848 Mg\n0.154044 0.154756 0.237519 Mg\n0.786305 0.582434 0.755597 Mg\n0.458061 0.907079 0.887018 Mg\n0.540993 0.190818 0.273945 Mg\n0.173647 0.682789 0.947714 Mg\n0.943612 0.602523 0.379927 Mg\n0.948669 0.152007 0.615653 Mg\n0.198366 0.805971 0.509728 Si\n0.738670 0.403536 0.108983 Si\n0.845203 0.020279 0.170841 Si\n0.193942 0.308763 0.856702 Si\n0.555067 0.589332 0.301110 Si\n0.754650 0.967076 0.779483 Si\n",
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}